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Name | MM3B6S |
---|---|
Molecular formula | C25H25NO7S |
IUPAC name | [(4R,4aR,7S,7aR,12bS)-9-benzoyloxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] sulfate |
Molecular weight | 483.535 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 2.1 |
Synonyms | CHEMBL211374 BDBM50189248 D0TT5V |
Inchi Key | RMPWVEGPFQZBPZ-SDSLYQAOSA-N |
Inchi ID | InChI=1S/C25H25NO7S/c1-26(2)13-12-25-17-9-11-20(33-34(28,29)30)23(25)32-22-19(10-8-16(21(22)25)14-18(17)26)31-24(27)15-6-4-3-5-7-15/h3-11,17-18,20,23H,12-14H2,1-2H3/t17-,18+,20-,23-,25-/m0/s1 |
PubChem CID | 44414811 |
ChEMBL | CHEMBL211374 |
IUPHAR | N/A |
BindingDB | 50189248 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
299935 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
299934 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
299936 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
299933 | Nociceptin receptor | P47748 | OPRL1 | Cavia porcellus (Guinea pig) | 370 |
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